5-formyl-N-(1H-imidazol-5-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C12H9F3N4O3 — CID 172579039

IUPAC5-formyl-N-(1H-imidazol-5-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESO=Cc1cc(C(=O)Nc2cnc[nH]2)c(=O)n(CC(F)(F)F)c1
InChIInChI=1S/C12H9F3N4O3/c13-12(14,15)5-19-3-7(4-20)1-8(11(19)22)10(21)18-9-2-16-6-17-9/h1-4,6H,5H2,(H,16,17)(H,18,21)
InChIKeyMUCGOLUJTKHHTC-UHFFFAOYSA-N
MW314.22 g/mol
LogP1.20
Rot. Bonds4

About 5-formyl-N-(1H-imidazol-5-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

5-formyl-N-(1H-imidazol-5-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 172579039) has the molecular formula C12H9F3N4O3 and a molecular weight of 314.22 g/mol. Its IUPAC name is 5-formyl-N-(1H-imidazol-5-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-formyl-N-(1H-imidazol-5-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID172579039
Molecular FormulaC12H9F3N4O3
Molecular Weight314.22 g/mol
Exact Mass314.06
IUPAC Name5-formyl-N-(1H-imidazol-5-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESO=Cc1cc(C(=O)Nc2cnc[nH]2)c(=O)n(CC(F)(F)F)c1
InChIInChI=1S/C12H9F3N4O3/c13-12(14,15)5-19-3-7(4-20)1-8(11(19)22)10(21)18-9-2-16-6-17-9/h1-4,6H,5H2,(H,16,17)(H,18,21)
InChIKeyMUCGOLUJTKHHTC-UHFFFAOYSA-N
XLogP1.20
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-formyl-N-(1H-imidazol-5-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1H-imidazol-5-yl)-5-(trifluoromethyl)pyridin-2-one
CID 25094296
N-[3-amino-2-[1-(difluoromethyl)imidazol-2-yl]prop-2-enyl]-5-fluoro-6-oxo-1H-pyridine-3-carboxamide
CID 173829112
N-(1H-imidazol-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 63563115
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 63940042
N-(1H-imidazol-2-ylmethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 64196976
N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 115668356
N-(1H-imidazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 55027601
N-(1H-imidazol-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 55212766
N-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 60968095
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 63931222
N-(1H-imidazol-2-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 63938315
N-(1H-imidazol-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 64195806

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-(1H-imidazol-5-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 5-formyl-N-(1H-imidazol-5-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 172579039) is 5-formyl-N-(1H-imidazol-5-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-formyl-N-(1H-imidazol-5-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-formyl-N-(1H-imidazol-5-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is O=Cc1cc(C(=O)Nc2cnc[nH]2)c(=O)n(CC(F)(F)F)c1.
What is the InChIKey of 5-formyl-N-(1H-imidazol-5-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is MUCGOLUJTKHHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O3/c13-12(14,15)5-19-3-7(4-20)1-8(11(19)22)10(21)18-9-2-16-6-17-9/h1-4,6H,5H2,(H,16,17)(H,18,21).
What are the key properties of 5-formyl-N-(1H-imidazol-5-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
5-formyl-N-(1H-imidazol-5-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 314.22 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-(1H-imidazol-5-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172579039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).